phenylsulfonylamino 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylamino]propanoate

Systemtic Name: phenylsulfonylamino 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylamino]propanoate Openeye Name: benzenesulfonamido 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylamino]propanoate CAS Name: 3-[[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methylamino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylamino]propanoate Traditional Name: 3-[[4-[4-(2-pyrimidyl)piperazino]benzyl]amino]propionic acid benzenesulfonamido ester Formula: C24H28N6O4S MolecularWeight: 496.58192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CNCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CNCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C24H28N6O4S/c31-23(34-28-35(32,33)22-5-2-1-3-6-22)11-14-25-19-20-7-9-21(10-8-20)29-15-17-30(18-16-29)24-26-12-4-13-27-24/h1-10,12-13,25,28H,11,14-19H2